1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine

C15H29N3 — CID 58932404

IUPAC1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(C2CCCN(C(C)C)C2)CC1
InChIInChI=1S/C15H29N3/c1-13(2)16-8-10-17(11-9-16)15-6-5-7-18(12-15)14(3)4/h14-15H,1,5-12H2,2-4H3
InChIKeySSRKKYNCGCYQCT-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.01
Rot. Bonds3

About 1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine

1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine (PubChem CID 58932404) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine
PubChem CID58932404
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(C2CCCN(C(C)C)C2)CC1
InChIInChI=1S/C15H29N3/c1-13(2)16-8-10-17(11-9-16)15-6-5-7-18(12-15)14(3)4/h14-15H,1,5-12H2,2-4H3
InChIKeySSRKKYNCGCYQCT-UHFFFAOYSA-N
XLogP2.01
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine?
The IUPAC name of 1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine (CID 58932404) is 1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(C2CCCN(C(C)C)C2)CC1.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine?
The InChIKey is SSRKKYNCGCYQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-13(2)16-8-10-17(11-9-16)15-6-5-7-18(12-15)14(3)4/h14-15H,1,5-12H2,2-4H3.
What are the key properties of 1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine?
1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine has a molecular weight of 251.42 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-3-yl)-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 58932404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).